SCHEMBL3434331

SCHEMBL3434331

CC(CCO)Nc1cc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.39
LRRK2 Q5S007 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2183561 1.00 HSP90AA1 (0.39) HSP90AA1LRRK2
SCHEMBL3435772 0.85 HSP90AA1 (0.52) HSP90AA1
SCHEMBL2185301 0.85 HSP90AA1 (0.52) HSP90AA1
SCHEMBL2183119 0.80 BIRC5 (0.37) HSP90AA1LRRK2
SCHEMBL2181737 0.80 CYP11B1 (0.42) HSP90AA1LRRK2
SCHEMBL2182330 0.79 HSP90AA1 (0.40) HSP90AA1
SCHEMBL2185438 0.79 HSP90AA1 (0.54) HSP90AA1
SCHEMBL2185440 0.79 HSP90AA1 (0.54) HSP90AA1
SCHEMBL2183243 0.79 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2182392 0.78 HSP90AA1 (0.46) HSP90AA1LRRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO disclosed